* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    165    258     491
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02083    70.20737    67.96570
    3     1 S   H    _H1_     3     1.02112    43.02862  -139.97400
    4     1 S   H    _H2_     4     1.02055   103.80700   -37.32172
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.81068    98.47896   -78.14679
   34    33 S   HC   _H8_    37     1.09063   109.29815    43.23342
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C7_    38     1.50600   107.32184   159.97440
   39    33 S   CT   _C21    84     1.51451   111.04047   -79.61348
   40    39 S   HC   _H27    85     1.09545   111.00588   -58.14865
   41    39 S   HC   _H28    86     1.09625   112.32755  -179.75134
   42    39 S   HC   _H29    87     1.09581   110.49616    61.03818
   43    38 S   CM   _C8_    39     1.34940   122.81276    62.27739
   44    38 S   CT   _C6_    69     1.51801   115.89259  -115.31097
   45    44 S   HC   _H12    70     1.09427   109.78070    19.66517
   46    44 S   HC   _H13    71     1.09240   107.36394   133.31162
   47    43 S   OS   _O33    40     1.38829   119.84438  -178.19810
   48    43 S   OH   _O38    82     1.38320   120.32457     4.20459
   49    48 S   HO   _H26    83     0.96181   109.74187   179.98022
   50    47 S   CT   _C9_    41     1.42296   114.56739   133.02965
   51    50 S   HC   _H4_    42     1.11022   109.39478    62.67833
   52    50 S   CT   _C12    43     1.54144   112.57187  -179.53312
   53    52 S   HC   _H7_    44     1.10205   110.46677   -94.01370
   54    50 S   CT   _C10    56     1.53018   114.66236   -59.91718
   55    54 S   HC   _H5_    57     1.09094   114.36754    74.18515
   56    52 S   CM   _C13    45     1.50817   121.53306    36.43499
   57    54 S   OH   _O37    58     1.42172   111.30418   -48.11080
   58    57 S   HO   _H25    59     0.97022   106.78991  -173.08528
   59    56 S   CM   _C14    46     1.33996   111.01905   115.63043
   60    59 S   HC   _H16    47     1.08296   124.50310   179.38483
   61    56 S   CT   _C16    60     1.49479   124.11012   -74.92101
   62    61 S   HC   _H19    61     1.11410   108.79407  -160.20825
   63    61 S   HC   _H20    62     1.11400   110.46751   -43.45647
   64    59 S   CT   _C15    48     1.48717   112.18043    -0.97458
   65    64 S   HC   _H17    49     1.09456   111.44219   117.85887
   66    64 S   HC   _H18    50     1.09333   112.18523  -118.37256
   67    61 S   OS   _O34    63     1.43583   113.50534    78.40183
   68    52 S   NP   _N4_    51     1.55677   102.59389   153.15162
   69    68 S   H    _H6_    52     1.02940   109.65719   115.38382
   70    67 S   CO4  _C17    64     1.36642   117.66528    80.59734
   71    70 S   O    _O35    65     1.22481   125.55321    -7.47044
   72    68 S   CT   _C11    53     1.51547   108.46013    -3.75499
   73    72 S   HC   _H14    54     1.09058   109.78615  -144.84674
   74    72 S   HC   _H15    55     1.09220   105.80376    95.64257
   75    70 S   CT   _C18    66     1.53200   110.53316   169.78602
   76    75 S   CT   _C5_    67     1.55624   112.51284    46.72227
   77    76 S   HC   _H3_    68     1.09645   108.22442   -57.71417
   78    75 S   CT   _C19    76     1.53380   107.10871   -78.12629
   79    78 S   HC   _H21    77     1.08741   109.65082  -180.00000
   80    78 S   HC   _H22    78     1.08727   109.61552    60.02524
   81    78 S   HC   _H23    79     1.08765   109.64125   -60.00102
   82    75 S   OH   _O36    80     1.42692   106.96426   166.21594
   83    82 S   HO   _H24    81     0.96970   106.52590    59.94453
   84    76 S   CT   _C4_    72     1.53778   112.16170  -174.94604
   85    84 S   HC   _H9_    73     1.08536   109.38000   -61.76599
   86    84 S   HC   _H10    74     1.08624   109.38465   178.22359
   87    84 S   HC   _H11    75     1.08609   109.32941    58.23800
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  16   5   2   1   1  11  14   5   4  12   2
   1  16   8  19   8  10   6  13   5   1  11   5   8   3   2   7
   4   3   6   4   3  11   4   2   1   1  12  11   6   6   3   2
   1   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    44    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    47    76    44    45    46    48    39    40    41    42  
   38    43    44    39    40    41    42  
   36    37  
   37  
    0  
   43    47    50    75    76    77    44    45    46    84    48    49    39    40    41    42  
   40    41    42    43    44  
   41    42  
   42  
    0  
   47    50    51    52    54    76    44    45    46    48    49  
   45    46    84    85    86    87    78    82    48    47    70    75    76    77  
   46    84    75    76    77  
   84    75    76    77  
   50    51    52    53    56    68    72    54    55    57    48    49  
   49    50  
    0  
   51    52    53    56    59    64    68    69    72    73    74    54    55    57    58    61  
   52    53    56    68    72    54    55    57  
   53    56    59    60    64    65    66    68    69    72    73    74    54    55    57    61    62    63    67  
   56    59    64    68    69    72    54    61  
   55    57    58    56    64    68    69    72    73    74  
   57    58    68    72    73    74  
   59    60    64    65    66    68    69    72    61    62    63    67    70  
   58    68    72    73    74  
   72  
   60    64    65    66    68    69    72    61    62    63    67  
   64    65    66    68    61  
   62    63    67    70    71    75    64    68  
   63    67    70  
   67    70  
   65    66    68    69    72    73    74  
   66    68    69    72  
   68    69    72  
   70    71    75    76    78    82  
   69    72    73    74  
   72    73    74  
   71    75    76    77    84    78    79    80    81    82    83  
   75    76    78    82  
   73    74  
   74  
    0  
   76    77    84    85    86    87    78    79    80    81    82    83  
   77    84    85    86    87    78    79    80    81    82    83  
   84    85    86    87    78    82  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   549.000  1.340
   38    44   317.000  1.510
   43    47   440.000  1.360
   43    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    68   367.000  1.471
   56    59   549.000  1.340
   56    61   317.000  1.510
   59    60   340.000  1.080
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   367.000  1.471
   68    69   434.000  1.010
   68    72   367.000  1.471
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    54   268.000  1.529
   54    55   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    70   214.000  1.327
   70    71   570.000  1.229
   70    75   317.000  1.522
   75    76   268.000  1.529
   75    78   268.000  1.529
   75    82   320.000  1.410
   76    77   340.000  1.090
   76    44   268.000  1.529
   76    84   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    47    80.00000  120.01400
   38    43    48    80.00000  121.38400
   38    44    76    70.00000  112.02700
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   43    47    50    90.00000  111.18400
   43    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   47    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    52    68    80.00000  111.20000
   50    54    72    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    50.00000  109.50000
   52    50    51    37.50000  110.70000
   52    56    59    70.00000  124.00000
   52    56    61    65.00000  117.92700
   52    68    64    75.00000  113.01200
   52    68    69    35.00000  109.50000
   52    68    72    75.00000  113.01200
   56    52    53    35.00000  109.50000
   56    59    60    35.00000  120.00000
   56    59    64    70.00000  124.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    67    85.00000  110.90400
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  110.06800
   64    59    60    35.00000  117.00000
   64    68    69    35.00000  109.50000
   64    68    72    75.00000  113.01200
   66    64    65    33.00000  107.80000
   68    52    53    35.00000  109.50000
   68    52    56    75.00000  110.06800
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    54    80.00000  111.20000
   72    68    69    35.00000  109.50000
   72    54    55    37.50000  110.70000
   72    54    57    50.00000  109.50000
   74    72    73    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    72    73    37.50000  110.70000
   54    72    74    37.50000  110.70000
   54    57    58    55.00000  108.50000
   57    54    55    35.00000  109.50000
   61    56    59    70.00000  124.00000
   61    67    70    83.00000  116.90000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    70    71    83.00000  123.40000
   67    70    75    81.00000  111.40000
   70    75    76    63.00000  111.10000
   70    75    78    63.00000  111.10000
   70    75    82    90.00000  109.61100
   75    70    71    80.00000  120.40000
   75    76    77    37.50000  110.70000
   75    76    44    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    55.00000  108.50000
   76    44    45    37.50000  110.70000
   76    44    46    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   44    38    43    70.00000  124.00000
   44    76    77    37.50000  110.70000
   46    44    45    33.00000  107.80000
   84    76    77    37.50000  110.70000
   84    76    44    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    75    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    50.00000  109.50000
   82    75    78    50.00000  109.50000
   48    43    47   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    47   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    44    76   0.46850  1.0 1.0
   33    38    44    76   0.08550 -1.0 2.0
   33    38    44    76   0.09800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    47    50  -2.26850  1.0 1.0
   38    43    47    50   3.39050 -1.0 2.0
   38    43    48    49  -0.66100  1.0 1.0
   38    43    48    49   1.20850 -1.0 2.0
   38    43    48    49  -0.36000  1.0 3.0
   43    38    44    76   0.09850  1.0 1.0
   43    38    44    76   0.15250 -1.0 2.0
   43    38    44    76  -0.50650  1.0 3.0
   43    38    44    45   0.00000  1.0 1.0
   43    38    44    46   0.00000  1.0 1.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52  -0.46850  1.0 1.0
   43    47    50    52   0.09300 -1.0 2.0
   43    47    50    52  -0.12850  1.0 3.0
   43    47    50    54  -0.46850  1.0 1.0
   43    47    50    54   0.09300 -1.0 2.0
   43    47    50    54  -0.12850  1.0 3.0
   47    43    48    49   2.00000 -1.0 2.0
   47    50    52    53   0.23400  1.0 3.0
   47    50    52    56   0.61850  1.0 1.0
   47    50    52    56  -0.22750 -1.0 2.0
   47    50    52    56   0.15300  1.0 3.0
   47    50    52    68   1.69300  1.0 1.0
   47    50    52    68  -0.48450 -1.0 2.0
   47    50    54    72   0.62750  1.0 1.0
   47    50    54    72  -0.30950 -1.0 2.0
   47    50    54    72   0.27300  1.0 3.0
   47    50    54    55   0.23400  1.0 3.0
   47    50    54    57   3.69350  1.0 1.0
   47    50    54    57  -1.82950 -1.0 2.0
   50    52    56    59   0.09850  1.0 1.0
   50    52    56    59   0.15250 -1.0 2.0
   50    52    56    59  -0.50650  1.0 3.0
   50    52    56    61   0.46850  1.0 1.0
   50    52    56    61   0.08550 -1.0 2.0
   50    52    56    61   0.09800  1.0 3.0
   50    52    68    64   0.47100  1.0 1.0
   50    52    68    69   0.17350  1.0 3.0
   50    52   -68    72   0.47100  1.0 1.0
   50    54    57    58  -0.11600  1.0 1.0
   50    54    57    58  -0.09450 -1.0 2.0
   50    54    57    58   0.21250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    68   0.19200  1.0 3.0
   51    50    54    72   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.23400  1.0 3.0
   52    50   -54    72   0.56750  1.0 1.0
   52    50   -54    72  -0.07550 -1.0 2.0
   52    50   -54    72   0.20000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.86500  1.0 1.0
   52    50    54    57  -0.17500 -1.0 2.0
   52    50    54    57   0.20800  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56   -59    64   7.00000 -1.0 2.0
   52    56    61    62   0.34800  1.0 3.0
   52    56    61    63   0.34800  1.0 3.0
   52    56    61    67   0.09700  1.0 1.0
   52    56    61    67   0.15600 -1.0 2.0
   52    56    61    67  -0.50800  1.0 3.0
   52    68    72    73   0.15000  1.0 3.0
   52    68    72    74   0.15000  1.0 3.0
   52    68   -72    54   0.47100  1.0 1.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    61   0.34800  1.0 3.0
   53    52    68    64   0.15000  1.0 3.0
   53    52    68    69   0.13050  1.0 3.0
   53    52    68    72   0.15000  1.0 3.0
   56    52   -68    64   0.08000 -1.0 2.0
   56    52    68    69   0.17350  1.0 3.0
   56    52    68    72   0.08000 -1.0 2.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.00000  1.0 1.0
   56    59   -64    68   0.80850  1.0 1.0
   56    59   -64    68  -0.47300 -1.0 2.0
   56    59   -64    68  -0.52300  1.0 3.0
   56    61    67    70  -0.82050  1.0 1.0
   56    61    67    70   0.00600 -1.0 2.0
   56    61    67    70   0.04400  1.0 3.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    67   0.39000  1.0 1.0
   59    56    61    67  -0.05800 -1.0 2.0
   59    56    61    67  -0.55150  1.0 3.0
   59    64   -68    52   0.08000 -1.0 2.0
   59    64    68    69   0.17350  1.0 3.0
   59    64    68    72   0.08000 -1.0 2.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    66   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    74   0.15000  1.0 3.0
   64    68    72    54   0.47100  1.0 1.0
   65    64    68    52   0.15000  1.0 3.0
   65    64    68    69   0.13050  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   66    64    68    52   0.15000  1.0 3.0
   66    64    68    69   0.13050  1.0 3.0
   66    64    68    72   0.15000  1.0 3.0
   68    52   -56    59   0.80850  1.0 1.0
   68    52   -56    59  -0.47300 -1.0 2.0
   68    52   -56    59  -0.52300  1.0 3.0
   68    52    56    61   0.52100  1.0 1.0
   68    52    56    61  -0.20350 -1.0 2.0
   68    52    56    61   0.29750  1.0 3.0
   68    72   -54    50   1.36600  1.0 1.0
   68    72   -54    50  -0.11450 -1.0 2.0
   68    72   -54    50   0.24250  1.0 3.0
   68    72    54    55   0.19200  1.0 3.0
   68    72    54    57   1.69300  1.0 1.0
   68    72    54    57  -0.48450 -1.0 2.0
   69    68    72    73   0.13050  1.0 3.0
   69    68    72    74   0.13050  1.0 3.0
   69    68    72    54   0.17350  1.0 3.0
   72    54    57    58  -0.11600  1.0 1.0
   72    54    57    58  -0.09450 -1.0 2.0
   72    54    57    58   0.21250  1.0 3.0
   73    72    54    50   0.15000  1.0 3.0
   73    72    54    55   0.15000  1.0 3.0
   73    72    54    57   0.23400  1.0 3.0
   74    72    54    50   0.15000  1.0 3.0
   74    72    54    55   0.15000  1.0 3.0
   74    72    54    57   0.23400  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.34400  1.0 1.0
   54    50    52    56   0.09450 -1.0 2.0
   54    50    52    56   0.11100  1.0 3.0
   54    50   -52    68   1.36600  1.0 1.0
   54    50   -52    68  -0.11450 -1.0 2.0
   54    50   -52    68   0.24250  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    64   7.00000 -1.0 2.0
   61    67    70    71   3.00000 -1.0 2.0
   61    67    70    75   1.63150  1.0 1.0
   61    67    70    75   2.92000 -1.0 2.0
   62    61    67    70   0.08050  1.0 3.0
   63    61    67    70   0.08050  1.0 3.0
   67    70    75    76   0.36750  1.0 3.0
   67    70    75    78   0.36750  1.0 3.0
   67    70    75    82   0.30750  1.0 1.0
   67    70    75    82   1.13850 -1.0 2.0
   67    70    75    82   0.38850  1.0 3.0
   70    75    76    77  -0.11250  1.0 3.0
   70    75    76    44  -0.95700  1.0 1.0
   70    75    76    44  -0.18200 -1.0 2.0
   70    75    76    44   0.29450  1.0 3.0
   70    75    76    84  -0.95700  1.0 1.0
   70    75    76    84  -0.18200 -1.0 2.0
   70    75    76    84   0.29450  1.0 3.0
   70    75    78    79  -0.11250  1.0 3.0
   70    75    78    80  -0.11250  1.0 3.0
   70    75    78    81  -0.11250  1.0 3.0
   70    75    82    83   0.91850  1.0 1.0
   70    75    82    83   0.57950  1.0 3.0
   71    70    75    76   0.30150 -1.0 2.0
   71    70    75    78   0.30150 -1.0 2.0
   71    70    75    82   0.30150 -1.0 2.0
   75    76    44    38   0.34400  1.0 1.0
   75    76    44    38   0.09450 -1.0 2.0
   75    76    44    38   0.11100  1.0 3.0
   75    76    44    45   0.15000  1.0 3.0
   75    76    44    46   0.15000  1.0 3.0
   75    76    84    85   0.15000  1.0 3.0
   75    76    84    86   0.15000  1.0 3.0
   75    76    84    87   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83  -0.11600  1.0 1.0
   76    75    82    83  -0.09450 -1.0 2.0
   76    75    82    83   0.21250  1.0 3.0
   77    76    44    38   0.15000  1.0 3.0
   77    76    44    45   0.15000  1.0 3.0
   77    76    44    46   0.15000  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    86   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   44    38    43    47   7.00000 -1.0 2.0
   44    38    43    48   7.00000 -1.0 2.0
   44    76    84    85   0.15000  1.0 3.0
   44    76    84    86   0.15000  1.0 3.0
   44    76    84    87   0.15000  1.0 3.0
   84    76    44    38   0.34400  1.0 1.0
   84    76    44    38   0.09450 -1.0 2.0
   84    76    44    38   0.11100  1.0 3.0
   84    76    44    45   0.15000  1.0 3.0
   84    76    44    46   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    44   0.56750  1.0 1.0
   78    75    76    44  -0.07550 -1.0 2.0
   78    75    76    44   0.20000  1.0 3.0
   78    75    76    84   0.56750  1.0 1.0
   78    75    76    84  -0.07550 -1.0 2.0
   78    75    76    84   0.20000  1.0 3.0
   78    75    82    83  -0.11600  1.0 1.0
   78    75    82    83  -0.09450 -1.0 2.0
   78    75    82    83   0.21250  1.0 3.0
   82    75    76    77   0.23400  1.0 3.0
   82    75    76    44   0.86500  1.0 1.0
   82    75    76    44  -0.17500 -1.0 2.0
   82    75    76    44   0.20800  1.0 3.0
   82    75    76    84   0.86500  1.0 1.0
   82    75    76    84  -0.17500 -1.0 2.0
   82    75    76    84   0.20800  1.0 3.0
   82    75    78    79   0.23400  1.0 3.0
   82    75    78    80   0.23400  1.0 3.0
   82    75    78    81   0.23400  1.0 3.0
   48    43    47    50   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    43   1.10000 -1.0 2.0
   47    48    43    38   1.10000 -1.0 2.0
   52    61    56    59   1.10000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   67    75    70    71  10.50000 -1.0 2.0
END
